Geometry & MOs

Info

ID:

81365

PubChem CID:

49854645

Reduced:

NO2F3C14H16 (2)

Stoich.:

AB2C3D14E16 (2)

Weight, g/mol:

511.127691

ΔHf, kcal/mol:

-490.53

Dipole, Da:

5.38

IP(EA), eV:

 -8.78(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[(2,6-dichloropyridin-4-yl)methyl-methoxycarbonylamino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1CC)N([C@@H](C[C@@H]2N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC)C)C(=O)OCC

DOS

IR

Vibrations